SCHEMBL9683333

SCHEMBL9683333

C[C@@H](NC(=O)c1cc(=O)c2cc(F)ccc2o1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
LMNA P02545 2/20 0.60
THRB P10828 1/20 0.60
NPC1 O15118 1/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.51
PIK3CD O00329 1/20 0.49
PIK3R2 O00459 1/20 0.49
PIK3CG P48736 1/20 0.49
MAOB P27338 1/20 0.49
TNKS O95271 1/20 0.49
POLB P06746 2/20 0.48
MTOR P42345 1/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CAPN1 P07384 1/20 0.47
CSNK2A2 P19784 2/20 0.45
CSNK2B P67870 2/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9684057 0.89 POLB (0.53) ALDH1A1LMNATHRBNPC1GAA
SCHEMBL9684981 0.88 ALDH1A1 (0.46) ALDH1A1LMNATHRBGAAPIK3CD
SCHEMBL9683334 0.88 MAOB (0.51) ALDH1A1LMNATHRBPIK3CDPIK3R2
SCHEMBL9684118 0.86 POLB (0.53) ALDH1A1LMNATHRBNPC1POLB
SCHEMBL9685202 0.85 POLB (0.48) ALDH1A1LMNATHRBPIK3CDPIK3R2
SCHEMBL9685250 0.83 LMNA (0.56) ALDH1A1LMNATHRBGAACYP2C9
SCHEMBL9684210 0.83 MAOB (0.48) ALDH1A1LMNATHRBNPC1MAOB
SCHEMBL21187013 0.79 ALDH1A1 (0.52) ALDH1A1THRBNPC1MAOBTNKS
SCHEMBL9683370 0.79 KMT2A (0.50) ALDH1A1GAAMAOBTNKSPOLB
SCHEMBL9683376 0.79 KMT2A (0.50) ALDH1A1GAAMAOBTNKSPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5171865-A Process for the preparation of optically active 4-oxo-1-benzopyran-2-carboxylic acid derivatives and intermediates thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1992-12-15 US disclosed
EP-0331078-A2 Process for the preparation of optically active 4-oxo-1-benzopyran-2-carboxylic acid derivatives and intermediates thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1989-09-06 EP disclosed